input word = C00027717

Metabolite InformationStructural formula
Name 2,3-Dibromostyloguanidine
Formula C17H20Br2ClN9O2
Mw 574.97952446
CAS RN 162339-63-1
C_ID C00027717 ,
InChIKey NESAUEBZIXIZGX-ADAPIPLLNA-N
InChICode InChI=1S/C17H20Br2ClN9O2/c18-6-5-7(24-11(6)19)12(30)29-2-4-3(1-21)9(20)16(13(31)26-15(23)27-16)8(4)17(29)10(5)25-14(22)28-17/h3-4,8-10,13,24,31H,1-2,21H2,(H3,22,25,28)(H3,23,26,27)/t3-,4+,8+,9+,10+,13+,16+,17?/m1/s1
SMILES [C@@H]12[C@@H](CN3[C@]41[C@H](c1c(C3=O)[nH]c(c1Br)Br)N=C(N4)N)[C@H]([C@@H]([C@@]12[C@@H](N=C(N1)N)O)Cl)CN
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Stylorella aurantium Ref.
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OrganismStylorella aurantium
ReferenceKato,Tetrahedron Lett.,36,(1995),2133